| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C |
| InChI | InChI | 1.03 | InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33) |
| InChIKey | InChI | 1.03 | UZVPIJMLVISXHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2c(cc1F)n(Cc3cc4ccccc4nc3Cl)c(C(O)=O)c2C5=CC=CNC5=O |
| SMILES | CACTVS | 3.385 | Cc1cc2c(cc1F)n(Cc3cc4ccccc4nc3Cl)c(C(O)=O)c2C5=CC=CNC5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl |
